765278-50-0
4-(2-(2,4-DI-HO-BENZOYL)CARBOHYDRAZONOYL)PH 3-CL-1-BENZOTHIOPHENE-2-CARBOXYLATE
Name4-(2-(2,4-DI-HO-BENZOYL)CARBOHYDRAZONOYL)PH 3-CL-1-BENZOTHIOPHENE-2-CARBOXYLATE
FormulaC23 H15 Cl N2 O5 S
1Identification
【Name】
4-(2-(2,4-DI-HO-BENZOYL)CARBOHYDRAZONOYL)PH 3-CL-1-BENZOTHIOPHENE-2-CARBOXYLATE
【CAS】
【MDL】
MFCD05720526
【English Synonyms】
【Formula】
C23 H15 Cl N2 O5 S
【MolWeight】
466.9
【Inchi】
InChI=1S/C23H15ClN2O5S/c24-20-17-3-1-2-4-19(17)32-21(20)23(30)31-15-8-5-13(6-9-15)12-25-26-22(29)16-10-7-14(27)11-18(16)28/h1-12,27-28H,(H,26,29)/b25-12+
【InChIKey】
InChIKey=SHHGJSNMBQSBHZ-BRJLIKDPSA-N
【SMILES】
c1ccc2c(c1)c(c(s2)C(=O)Oc3ccc(cc3)/C=N/NC(=O)c4ccc(cc4O)O)Cl
【MOL File】
4-(2-(2,4-DI-HO-BENZ….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:7
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(2-(2,4-DI-HO-BENZOYL)CARBOHYDRAZONOYL)PH 3-CL-1-BENZOTHIOPHENE-2-CARBOXYLATE.cml